2-heptyl-5-hex-1-enylpyrrolidine

C17H33N — CID 57136831

IUPAC2-heptyl-5-hex-1-enylpyrrolidine
SMILESCCCCC=CC1CCC(CCCCCCC)N1
InChIInChI=1S/C17H33N/c1-3-5-7-9-11-13-17-15-14-16(18-17)12-10-8-6-4-2/h10,12,16-18H,3-9,11,13-15H2,1-2H3
InChIKeyGKAMVZXRTPXEKD-UHFFFAOYSA-N
MW251.46 g/mol
LogP5.21
Rot. Bonds10

About 2-heptyl-5-hex-1-enylpyrrolidine

2-heptyl-5-hex-1-enylpyrrolidine (PubChem CID 57136831) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is 2-heptyl-5-hex-1-enylpyrrolidine.

Molecular Properties

Compound Name2-heptyl-5-hex-1-enylpyrrolidine
PubChem CID57136831
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name2-heptyl-5-hex-1-enylpyrrolidine
SMILESCCCCC=CC1CCC(CCCCCCC)N1
InChIInChI=1S/C17H33N/c1-3-5-7-9-11-13-17-15-14-16(18-17)12-10-8-6-4-2/h10,12,16-18H,3-9,11,13-15H2,1-2H3
InChIKeyGKAMVZXRTPXEKD-UHFFFAOYSA-N
XLogP5.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.46
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-heptyl-5-hex-1-enylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-heptyl-5-hex-1-enylpyrrolidine?
The IUPAC name of 2-heptyl-5-hex-1-enylpyrrolidine (CID 57136831) is 2-heptyl-5-hex-1-enylpyrrolidine.
What is the SMILES notation for 2-heptyl-5-hex-1-enylpyrrolidine?
The canonical SMILES for 2-heptyl-5-hex-1-enylpyrrolidine is CCCCC=CC1CCC(CCCCCCC)N1.
What is the InChIKey of 2-heptyl-5-hex-1-enylpyrrolidine?
The InChIKey is GKAMVZXRTPXEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-3-5-7-9-11-13-17-15-14-16(18-17)12-10-8-6-4-2/h10,12,16-18H,3-9,11,13-15H2,1-2H3.
What are the key properties of 2-heptyl-5-hex-1-enylpyrrolidine?
2-heptyl-5-hex-1-enylpyrrolidine has a molecular weight of 251.46 g/mol, XLogP of 5.21, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptyl-5-hex-1-enylpyrrolidine is sourced from PubChem (CID 57136831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).